IsotopeWavelet#

class pyopenms.IsotopeWavelet#

Bases: object

Cython implementation of _IsotopeWavelet

Original C++ documentation is available here

__init__()#

Methods

`__init__`()
`destroy`(self)	Deletes the singleton instance
`getExpTableMaxIndex`(self)	Returns the largest possible index for the pre-sampled exp table
`getGammaTableMaxIndex`(self)	Returns the largest possible index for the pre-sampled gamma table
`getInvTableSteps`(self)	Returns the inv_table_steps_ parameter
`getLambdaL`(self, m)	Returns the mass-parameter lambda (linear fit)
`getMaxCharge`(self)	Returns the largest charge state we will consider
`getMzPeakCutOffAtMonoPos`(self, mass, z)
`getNumPeakCutOff`	Overload:
`getTableSteps`(self)	Returns the table_steps_ parameter
`getValueByLambda`(self, lambda_, tz1)	Returns the value of the isotope wavelet at position t via a fast table lookup
`getValueByLambdaExact`(self, lambda_, tz1)
`getValueByLambdaExtrapol`(self, lambda_, tz1)	Returns the value of the isotope wavelet at position t
`getValueByMass`(self, t, m, z, mode)	Returns the value of the isotope wavelet at position t.
`myPow`(self, a, b)	Internally used function; uses register shifts for fast computation of the power function
`setMaxCharge`(self, max_charge)	Sets the max_charge parameter
`setTableSteps`(self, table_steps)	Sets the table_steps parameter

destroy(self) → None#: Deletes the singleton instance

getExpTableMaxIndex(self) → int#: Returns the largest possible index for the pre-sampled exp table

getGammaTableMaxIndex(self) → int#: Returns the largest possible index for the pre-sampled gamma table

getInvTableSteps(self) → float#: Returns the inv_table_steps_ parameter

getLambdaL(self, m: float) → float#: Returns the mass-parameter lambda (linear fit)

getMaxCharge(self) → int#: Returns the largest charge state we will consider

getMzPeakCutOffAtMonoPos(self, mass: float, z: int) → int#

getNumPeakCutOff()#

Overload:

getNumPeakCutOff(self, mass: float, z: int) → int

Overload:

getNumPeakCutOff(self, mz: float) → int

getTableSteps(self) → float#: Returns the table_steps_ parameter

getValueByLambda(self, lambda_: float, tz1: float) → float#

Returns the value of the isotope wavelet at position t via a fast table lookup

Usually, you do not need to call this function Please use sampleTheWavelet instead Note that this functions returns the pure function value of psi and not the normalized (average=0) value given by Psi

Parameters:

lambda – The mass-parameter lambda
tz1 – t (the position) times the charge (z) plus 1

getValueByLambdaExact(self, lambda_: float, tz1: float) → float#

getValueByLambdaExtrapol(self, lambda_: float, tz1: float) → float#

Returns the value of the isotope wavelet at position t

This function is usually significantly slower than the table lookup performed in @see getValueByLambda Nevertheless, it might be necessary to call this function due to extrapolating reasons caused by the alignment of the wavelet

Parameters:

lambda – The mass-parameter lambda
tz1 – t (the position) times the charge (z) plus 1

getValueByMass(self, t: float, m: float, z: int, mode: int) → float#

Returns the value of the isotope wavelet at position t. Usually, you do not need to call this function

Note that this functions returns the pure function value of psi and not the normalized (average=0) value given by Psi

Parameters:

t – The position at which the wavelet has to be drawn (within the coordinate system of the wavelet)
m – The m/z position within the signal (i.e. the mass not de-charged) within the signal
z – The charge z we want to detect
mode – Indicates whether positive mode (+1) or negative mode (-1) has been used for ionization

myPow(self, a: float, b: float) → float#: Internally used function; uses register shifts for fast computation of the power function

setMaxCharge(self, max_charge: int) → None#: Sets the max_charge parameter

setTableSteps(self, table_steps: float) → None#: Sets the table_steps parameter